ethyl 5-(tert-butylcarbamoyl)-4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(tert-butylcarbamoyl)-4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(tert-butylcarbamoyl)-4-ethyl-2-[(4-methoxyanilino)methyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[(tert-butylamino)-oxomethyl]-4-ethyl-2-[(4-methoxyanilino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(tert-butylcarbamoyl)-4-ethyl-2-[(4-methoxyanilino)methyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-(tert-butylcarbamoyl)-4-ethyl-2-(p-anisidinomethyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-7-16-18(21(27)29-8-2)17(24-19(16)20(26)25-22(3,4)5)13-23-14-9-11-15(28-6)12-10-14/h9-12,23-24H,7-8,13H2,1-6H3,(H,25,26)